12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C45H29N5 — CID 162424757

IUPAC12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c32)c([2H])c1[2H]
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)31-24-26-33(27-25-31)44-46-43(32-16-6-2-7-17-32)47-45(48-44)50-39-23-13-11-21-37(39)41-40(50)29-28-36-35-20-10-12-22-38(35)49(42(36)41)34-18-8-3-9-19-34/h1-29H/i3D,8D,9D,18D,19D
InChIKeyLRWYAKFLEGZZKM-IAJSEMNZSA-N
MW644.79 g/mol
LogP11.07
Rot. Bonds5

About 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 162424757) has the molecular formula C45H29N5 and a molecular weight of 644.79 g/mol. Its IUPAC name is 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
PubChem CID162424757
Molecular FormulaC45H29N5
Molecular Weight644.79 g/mol
Exact Mass644.27
IUPAC Name12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c32)c([2H])c1[2H]
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)31-24-26-33(27-25-31)44-46-43(32-16-6-2-7-17-32)47-45(48-44)50-39-23-13-11-21-37(39)41-40(50)29-28-36-35-20-10-12-22-38(35)49(42(36)41)34-18-8-3-9-19-34/h1-29H/i3D,8D,9D,18D,19D
InChIKeyLRWYAKFLEGZZKM-IAJSEMNZSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.79
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162424954
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 162425024
6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 176824418
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158439679
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(7-phenyltriphenylen-2-yl)indolo[3,2-c]carbazole
CID 170675969
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole
CID 174179677
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-11-(2,3,5,6-tetradeuteriophenyl)indolo[2,3-a]carbazole
CID 171752168
12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233

Frequently Asked Questions

What is the IUPAC name of 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 162424757) is 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c32)c([2H])c1[2H].
What is the InChIKey of 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is LRWYAKFLEGZZKM-IAJSEMNZSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-14-30(15-5-1)31-24-26-33(27-25-31)44-46-43(32-16-6-2-7-17-32)47-45(48-44)50-39-23-13-11-21-37(39)41-40(50)29-28-36-35-20-10-12-22-38(35)49(42(36)41)34-18-8-3-9-19-34/h1-29H/i3D,8D,9D,18D,19D.
What are the key properties of 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 644.79 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 162424757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).